methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate

C14H14ClNO3S — CID 139811022

IUPACmethyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO3S/c1-9(12-7-8-13(15)20-12)19-11-5-3-10(4-6-11)16-14(17)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyWMWPLXGGAOQBNO-UHFFFAOYSA-N
MW311.79 g/mol
LogP4.72
Rot. Bonds4

About methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate

methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate (PubChem CID 139811022) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate
PubChem CID139811022
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Namemethyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClNO3S/c1-9(12-7-8-13(15)20-12)19-11-5-3-10(4-6-11)16-14(17)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyWMWPLXGGAOQBNO-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 38322913
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 61471421
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl N-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522624
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
[4-(methoxycarbonylamino)phenoxy]boronic acid
CID 142779925
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate (CID 139811022) is methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OC(C)c2ccc(Cl)s2)cc1.
What is the InChIKey of methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate?
The InChIKey is WMWPLXGGAOQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9(12-7-8-13(15)20-12)19-11-5-3-10(4-6-11)16-14(17)18-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate?
methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate has a molecular weight of 311.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-(5-chlorothiophen-2-yl)ethoxy]phenyl]carbamate is sourced from PubChem (CID 139811022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).